N-(1-azabicyclo[2.2.2]octan-3-ylcarbamothioyl)-5-(2-nitrophenyl)furan-2-carboxamide

Systemtic Name: N-(1-azabicyclo[2.2.2]octan-3-ylcarbamothioyl)-5-(2-nitrophenyl)furan-2-carboxamide Openeye Name: 5-(2-nitrophenyl)-N-(quinuclidin-3-ylcarbamothioyl)furan-2-carboxamide CAS Name: N-[(1-azabicyclo[2.2.2]octan-3-ylamino)-sulfanylidenemethyl]-5-(2-nitrophenyl)-2-furancarboxamide IUPAC Name: N-(1-azabicyclo[2.2.2]octan-3-ylcarbamothioyl)-5-(2-nitrophenyl)furan-2-carboxamide Traditional Name: 5-(2-nitrophenyl)-N-(quinuclidin-3-ylthiocarbamoyl)-2-furamide Formula: C19H20N4O4S MolecularWeight: 400.4515

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN2CCC1C(C2)NC(=S)NC(=O)C3=CC=C(O3)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1CN2CCC1C(C2)NC(=S)NC(=O)C3=CC=C(O3)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C19H20N4O4S/c24-18(21-19(28)20-14-11-22-9-7-12(14)8-10-22)17-6-5-16(27-17)13-3-1-2-4-15(13)23(25)26/h1-6,12,14H,7-11H2,(H2,20,21,24,28)